4-ethenyl-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one

C14H14F3NO — CID 168684943

IUPAC4-ethenyl-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cc(C)ccc2C(F)(F)F)C1
InChIInChI=1S/C14H14F3NO/c1-3-10-7-13(19)18(8-10)12-6-9(2)4-5-11(12)14(15,16)17/h3-6,10H,1,7-8H2,2H3
InChIKeyPQJXZZAFPPRMRB-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.55
Rot. Bonds2

About 4-ethenyl-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one

4-ethenyl-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 168684943) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is 4-ethenyl-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID168684943
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name4-ethenyl-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cc(C)ccc2C(F)(F)F)C1
InChIInChI=1S/C14H14F3NO/c1-3-10-7-13(19)18(8-10)12-6-9(2)4-5-11(12)14(15,16)17/h3-6,10H,1,7-8H2,2H3
InChIKeyPQJXZZAFPPRMRB-UHFFFAOYSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 168684943) is 4-ethenyl-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one is C=CC1CC(=O)N(c2cc(C)ccc2C(F)(F)F)C1.
What is the InChIKey of 4-ethenyl-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is PQJXZZAFPPRMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-3-10-7-13(19)18(8-10)12-6-9(2)4-5-11(12)14(15,16)17/h3-6,10H,1,7-8H2,2H3.
What are the key properties of 4-ethenyl-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one?
4-ethenyl-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 269.27 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 168684943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).